Name: Name:4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
Brand: Angene
SKU: AG00GUEF
Rating: 90 (10 reviews)

4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid

CAS No.:

877825-77-9

Catalog Number:

AG00GUEF

Molecular Formula:

C11H12N2O4S

Molecular Weight:

268.2890

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Purity

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Product Description

Catalog Number:

AG00GUEF

Chemical Name:

4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid

CAS Number:

877825-77-9

Molecular Formula:

C11H12N2O4S

Molecular Weight:

268.2890

MDL Number:

MFCD07847859

IUPAC Name:

4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid

InChI:

InChI=1S/C11H12N2O4S/c1-5-7-9(17-3)12-6(4-16-2)13-10(7)18-8(5)11(14)15/h4H2,1-3H3,(H,14,15)

InChI Key:

WEWPTOYLCJSCJK-UHFFFAOYSA-N

SMILES:

COCc1nc(OC)c2c(n1)sc(c2C)C(=O)O

Properties

Complexity:

317

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

268.052g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

268.287g/mol

Monoisotopic Mass:

268.052g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

110A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101